[PyMOL] disulbond break

2014-05-14 Thread neshat haq
Hello every one, I am not able save the pdb file, after I broke the disulfide bond. what I did was 1-loaded the pdb file 2-selected 3-button editing mode 3-selected the two atoms bonded by disulfide bond 4-unbond pk1,pk2 Now it shows the bond break, but when I was saving the file without disulfide

[PyMOL] Segmentation fault when using APBS Tool 2

2014-05-14 Thread Ooker
The newest version of PyMOL (1.7.1.3) solves this problem, just to announce you to know that. Thank you. -- Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across

Re: [PyMOL] disulbond break

2014-05-14 Thread T. Nakane
Hi, This is because PyMOL does not read SSBOND records in PDB files. Actually, PyMOL determines if a bond is present based on atomic distances and CONECT records. http://www.pymolwiki.org/index.php/Connect_mode PyMOL does not write SSBOND records when saving a PDB file. Best regards, Takanori

[PyMOL] Ray trace mode 1 outline thickness

2014-05-14 Thread Martin Hediger
Hi guys I wonder if you could help, I'm rendering this image: http://qmviews.blogspot.ch/2014/05/illustrating-protein-structures.html and I wonder if and how I could increase the thickness of the black outlines? Thanks for help Martin

Re: [PyMOL] Ray trace mode 1 outline thickness

2014-05-14 Thread Sampson, Jared
Hi Martin - Try increasing the `ray_trace_gain` setting. Default value is 0.12, so maybe try 1 or 2. If you go much higher, you’ll start to see additional lines or spots. Cheers, Jared -- Jared Sampson Xiangpeng Kong Lab NYU Langone Medical Center http://kong.med.nyu.edu/ On May 14,

Re: [PyMOL] disulbond break

2014-05-14 Thread Edward A. Berry
That would seem to violate rule #1 of macromolecular depiction: Never change the coordinates! But then I can't imagine why one would want to not draw a disulfide bond in a real protein structure, so maybe this is some kind of exercise where it is not important to adhere to the experimental